#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jub n THR 2 N 0.00 0.00 -0.15 0.00 -2.24 -1.26 -4.38 114.28 106.24 2jub n THR 2 Ca 0.00 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2jub n THR 2 Cb 0.00 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 2jub n THR 2 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jub h LEU 3 N 1.22 0.56 0.44 3.22 5.85 -2.02 0.19 115.31 124.77 2jub h LEU 3 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jub h LEU 3 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jub h LEU 3 CO 0.00 0.45 -0.21 0.74 -0.34 0.00 0.00 178.44 179.08 2jub h THR 4 N 0.61 0.56 -0.03 1.05 2.02 -1.94 -1.59 112.91 113.58 2jub h THR 4 Ca 0.16 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2jub h THR 4 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2jub h THR 4 CO -0.03 0.04 -0.08 -1.28 0.37 0.00 0.00 175.52 174.53 2jub h SER 5 N -0.71 0.13 -0.48 4.18 0.87 -1.77 -3.04 113.55 112.74 2jub h SER 5 Ca -0.06 -0.59 -0.07 0.00 -1.23 0.00 0.00 61.79 59.84 2jub h SER 5 Cb 0.51 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2jub h SER 5 CO 0.10 0.70 0.03 -0.08 -0.53 0.00 0.00 176.83 177.05 2jub h GLU 6 N -0.43 0.82 -0.06 2.24 4.57 -0.71 -2.60 114.58 118.40 2jub h GLU 6 Ca -0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2jub h GLU 6 Cb 0.68 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2jub h GLU 6 CO 0.02 0.85 -0.06 0.28 -1.18 0.00 0.00 179.01 178.91 2jub h VAL 7 N 0.68 1.37 -0.21 0.32 2.07 -1.41 -2.48 116.25 116.59 2jub h VAL 7 Ca 0.14 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2jub h VAL 7 Cb 0.46 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jub h VAL 7 CO 0.02 0.34 0.13 0.40 0.02 0.00 0.00 177.57 178.48 2jub h ILE 8 N -0.28 1.06 -0.76 4.57 5.03 -1.60 -2.57 117.51 122.96 2jub h ILE 8 Ca 0.01 -0.13 -0.05 0.00 -0.12 0.00 0.00 64.86 64.57 2jub h ILE 8 Cb 0.57 0.77 -0.03 0.00 -3.03 0.00 0.00 36.82 35.10 2jub h ILE 8 CO 0.02 0.06 0.26 0.50 -0.68 0.00 0.00 178.15 178.31 2jub h LYS 9 N 0.27 1.16 -0.89 2.37 1.63 -1.54 -2.20 116.57 117.38 2jub h LYS 9 Ca 0.08 -0.23 0.08 0.00 -0.85 0.00 0.00 60.65 59.72 2jub h LYS 9 Cb -0.02 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.38 2jub h LYS 9 CO -0.02 0.97 0.57 0.00 -3.45 0.00 0.00 179.45 177.53 2jub h ALA 10 N 1.14 1.58 -2.60 5.00 0.00 -1.20 -3.38 119.26 119.80 2jub h ALA 10 Ca 0.25 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.80 2jub h ALA 10 Cb 0.27 -0.24 -0.37 0.00 0.00 0.00 0.00 17.79 17.46 2jub h ALA 10 CO -0.01 0.27 -0.65 1.21 0.00 0.00 0.00 179.25 180.06 2jub s ASN 11 N -5.99 1.59 1.07 0.00 3.84 -0.86 -4.97 114.94 109.63 2jub s ASN 11 Ca -0.11 -0.33 -0.18 0.00 0.21 0.00 0.00 52.86 52.45 2jub s ASN 11 Cb 0.20 0.27 0.25 0.00 -0.55 0.00 0.00 41.25 41.42 2jub s ASN 11 CO 0.79 -0.34 1.25 0.29 -2.79 0.00 0.00 177.10 176.31 2jub n LYS 12 N 5.31 -1.83 -0.35 0.43 5.02 -1.04 -4.53 118.16 121.17 2jub n LYS 12 Ca -0.06 -1.95 -0.00 0.00 -2.02 0.00 0.00 58.31 54.28 2jub n LYS 12 Cb 0.49 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2jub n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jub n GLY 13 N -3.96 1.88 3.56 0.72 0.00 -1.26 -4.72 105.19 101.41 2jub n GLY 13 Ca 0.16 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2jub n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jub s ARG 14 N 0.66 3.72 -0.05 1.61 1.70 -1.26 -4.62 118.95 120.71 2jub s ARG 14 Ca 0.01 -1.43 -0.04 0.00 -0.47 0.00 0.00 55.73 53.80 2jub s ARG 14 Cb 0.01 -5.39 0.01 0.00 -0.57 0.00 0.00 34.95 29.01 2jub s ARG 14 CO 0.00 -2.20 0.07 -1.91 -1.08 0.00 0.00 175.30 170.18 2jub n GLU 15 N 8.60 -3.52 -2.07 3.89 4.07 -1.26 -4.64 120.64 125.70 2jub n GLU 15 Ca 0.37 2.63 -0.32 0.00 -0.06 0.00 0.00 57.16 59.79 2jub n GLU 15 Cb 0.49 -3.49 -0.04 0.00 -0.06 0.00 0.00 31.44 28.34 2jub n GLU 15 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2jub s GLY 16 N -0.42 0.24 0.07 8.31 0.00 -1.26 -4.34 107.32 109.91 2jub s GLY 16 Ca -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2jub s GLY 16 CO 0.23 3.42 0.00 0.28 0.00 0.00 0.00 173.10 177.03 2jub n LYS 17 N 8.98 0.00 -3.52 2.90 5.02 -1.26 -4.87 118.16 125.42 2jub n LYS 17 Ca 0.32 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.25 2jub n LYS 17 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.43 2jub n LYS 17 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jub s PRO 18 N -2.00 4.26 -0.14 1.97 0.04 -1.26 -3.21 135.00 134.66 2jub s PRO 18 Ca 0.00 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.17 2jub s PRO 18 Cb 0.00 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2jub s PRO 18 CO 0.00 0.21 -0.22 1.41 0.04 0.00 0.00 177.00 178.45 2jub s MET 19 N 0.54 3.00 -0.17 4.56 1.75 -1.19 -4.86 119.30 122.94 2jub s MET 19 Ca 0.17 -0.85 -0.04 0.00 -1.25 0.00 0.00 55.69 53.72 2jub s MET 19 Cb -0.13 -2.43 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 2jub s MET 19 CO 0.04 -0.02 -0.03 0.42 -0.65 0.00 0.00 175.02 174.77 2jub s ILE 20 N 0.84 3.82 -0.64 10.11 1.01 -1.26 -1.52 121.20 133.55 2jub s ILE 20 Ca -0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 2jub s ILE 20 Cb -0.15 -2.69 0.09 0.00 0.01 0.00 0.00 42.46 39.72 2jub s ILE 20 CO -0.02 0.48 0.84 -0.55 0.00 0.00 0.00 174.94 175.68 2jub s SER 21 N 0.58 6.21 0.00 3.58 0.15 -1.07 -4.84 113.70 118.31 2jub s SER 21 Ca -0.03 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.32 2jub s SER 21 Cb -0.14 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2jub s SER 21 CO 0.03 -1.25 0.91 0.00 1.20 0.00 0.00 173.24 174.13 2jub n LEU 22 N 6.90 0.00 -0.31 3.45 -0.00 -1.26 0.21 117.00 125.99 2jub n LEU 22 Ca -0.05 0.41 -0.04 0.00 -0.00 0.00 0.00 56.01 56.33 2jub n LEU 22 Cb 0.44 -0.41 0.08 0.00 -0.00 0.00 0.00 43.42 43.53 2jub n LEU 22 CO 0.60 -0.41 1.19 0.58 -0.00 0.00 0.00 177.39 179.35 2jub h VAL 23 N 0.00 1.24 0.00 1.47 2.07 -1.97 -3.28 116.25 115.78 2jub h VAL 23 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2jub h VAL 23 Cb 0.04 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2jub h VAL 23 CO 0.00 0.25 -0.36 -0.67 0.02 0.00 0.00 177.57 176.80 2jub n ASP 24 N -4.43 1.82 -0.02 0.57 -0.08 -0.05 -5.00 116.55 109.35 2jub n ASP 24 Ca 0.09 -0.24 -0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2jub n ASP 24 Cb 0.05 0.84 -0.00 0.00 2.34 0.00 0.00 41.12 44.35 2jub n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 25 N 1.38 0.45 3.84 0.27 0.00 0.57 -5.02 105.19 106.67 2jub n GLY 25 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2jub n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jub s GLU 26 N -1.16 4.09 -0.10 1.61 -1.05 -1.21 -4.84 118.70 116.04 2jub s GLU 26 Ca 0.00 0.86 -0.18 0.00 -0.15 0.00 0.00 54.97 55.50 2jub s GLU 26 Cb 0.00 -2.31 -0.04 0.00 -0.44 0.00 0.00 34.13 31.33 2jub s GLU 26 CO 0.00 0.06 0.48 -1.21 0.95 0.00 0.00 175.26 175.54 2jub s GLU 27 N -3.13 4.31 -0.62 -4.83 2.02 -1.26 -2.61 118.70 112.58 2jub s GLU 27 Ca 0.58 0.47 0.06 0.00 0.02 0.00 0.00 54.97 56.09 2jub s GLU 27 Cb -0.10 -3.42 0.21 0.00 0.10 0.00 0.00 34.13 30.93 2jub s GLU 27 CO 0.16 0.21 0.60 -0.89 0.02 0.00 0.00 175.26 175.36 2jub n ILE 28 N 3.49 1.51 -2.02 -1.63 5.41 -0.58 -5.02 119.36 120.52 2jub n ILE 28 Ca -0.07 -4.83 -0.42 0.00 1.00 0.00 0.00 62.75 58.42 2jub n ILE 28 Cb 0.52 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 37.34 2jub n ILE 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2jub s LYS 29 N -1.79 3.25 0.00 0.38 3.01 -1.26 -2.99 119.74 120.33 2jub s LYS 29 Ca 0.34 1.30 0.00 0.00 -1.01 0.00 0.00 55.97 56.60 2jub s LYS 29 Cb 0.08 -4.22 0.00 0.00 -1.01 0.00 0.00 37.83 32.68 2jub s LYS 29 CO -0.09 -1.97 0.00 0.41 0.51 0.00 0.00 175.35 174.21 2jub n GLY 30 N 5.44 0.71 3.08 -3.33 0.00 -1.20 -5.02 105.19 104.88 2jub n GLY 30 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 2jub n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jub s THR 31 N -0.71 0.10 -0.47 2.61 -4.23 -1.16 -3.66 115.64 108.12 2jub s THR 31 Ca 0.00 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2jub s THR 31 Cb 0.00 -0.49 0.14 0.00 1.34 0.00 0.00 72.50 73.49 2jub s THR 31 CO 0.00 -0.45 0.26 0.68 -0.54 0.00 0.00 174.62 174.57 2jub s VAL 32 N -1.64 1.74 -1.97 2.29 -7.23 -1.26 -3.34 120.40 108.99 2jub s VAL 32 Ca -0.13 -2.83 0.00 0.00 -1.81 0.00 0.00 61.98 57.21 2jub s VAL 32 Cb -0.07 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2jub s VAL 32 CO -0.00 -0.89 0.00 -1.22 -0.31 0.00 0.00 175.10 172.68 2jub n TYR 33 N 3.34 -0.11 -2.42 2.82 4.01 -1.26 -4.92 117.16 118.62 2jub n TYR 33 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.43 2jub n TYR 33 Cb 0.34 -3.21 -0.04 0.00 -0.31 0.00 0.00 39.34 36.12 2jub n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2jub s LEU 34 N -4.44 4.45 0.00 7.72 2.96 -1.26 -3.17 118.68 124.93 2jub s LEU 34 Ca 0.00 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2jub s LEU 34 Cb 0.00 -3.74 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2jub s LEU 34 CO 0.00 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 2jub n GLY 35 N 0.98 0.74 0.00 7.98 0.00 -1.26 -5.02 105.19 108.61 2jub n GLY 35 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2jub n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jub n ASP 36 N 0.39 0.00 -1.85 1.61 8.00 -1.19 -5.00 116.55 118.51 2jub n ASP 36 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2jub n ASP 36 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.40 2jub n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jub n GLY 37 N 3.21 3.80 3.29 0.44 0.00 -1.20 -5.01 105.19 109.72 2jub n GLY 37 Ca 0.00 -1.02 -0.56 0.00 0.00 0.00 0.00 46.02 44.44 2jub n GLY 37 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2jub n TRP 38 N -0.27 0.77 -3.73 1.61 -0.00 -1.16 -4.32 117.44 110.34 2jub n TRP 38 Ca 0.39 1.00 -0.13 0.00 -0.00 0.00 0.00 57.50 58.76 2jub n TRP 38 Cb 1.33 -1.96 -0.10 0.00 -0.00 0.00 0.00 31.31 30.57 2jub n TRP 38 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2jub s SER 39 N 0.46 -0.43 0.31 5.87 0.15 -1.24 -5.03 113.70 113.79 2jub s SER 39 Ca 0.87 0.82 -0.17 0.00 0.70 0.00 0.00 55.95 58.16 2jub s SER 39 Cb -1.22 0.80 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2jub s SER 39 CO 0.57 -0.15 0.69 0.00 1.20 0.00 0.00 173.24 175.55 2jub s ALA 40 N 0.48 -0.82 0.03 5.45 0.00 -1.26 -2.40 121.76 123.25 2jub s ALA 40 Ca -0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 2jub s ALA 40 Cb -0.04 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.96 2jub s ALA 40 CO -0.02 -0.98 0.38 -1.59 0.00 0.00 0.00 175.76 173.54 2jub s LYS 41 N -3.40 0.85 -0.27 0.00 -2.85 -0.90 -5.02 119.74 108.15 2jub s LYS 41 Ca 0.15 -0.35 -0.10 0.00 -1.00 0.00 0.00 55.97 54.67 2jub s LYS 41 Cb -0.05 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 2jub s LYS 41 CO 0.09 -0.28 0.16 0.15 0.10 0.00 0.00 175.35 175.58 2jub s LYS 42 N -2.25 3.91 0.00 1.78 1.02 -1.26 -2.71 119.74 120.22 2jub s LYS 42 Ca -0.07 -0.34 0.21 0.00 0.02 0.00 0.00 55.97 55.79 2jub s LYS 42 Cb -0.02 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 2jub s LYS 42 CO -0.01 -0.14 0.99 -3.47 -0.92 0.00 0.00 175.35 171.80 2jub n ASP 43 N 4.91 1.63 0.00 2.83 -0.08 -1.24 -5.01 116.55 119.59 2jub n ASP 43 Ca -0.15 -1.32 0.00 0.00 -1.51 0.00 0.00 54.79 51.82 2jub n ASP 43 Cb 0.52 0.66 0.00 0.00 2.34 0.00 0.00 41.12 44.64 2jub n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 44 N 1.42 0.32 1.16 0.27 0.00 -1.26 -4.82 105.19 102.28 2jub n GLY 44 Ca 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2jub n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jub n ALA 45 N -0.71 3.10 -3.54 4.61 0.00 -1.26 -4.71 120.51 118.00 2jub n ALA 45 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 2jub n ALA 45 Cb 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 2jub n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jub s THR 46 N -1.86 -0.59 0.14 0.00 2.01 -1.26 -3.03 115.64 111.04 2jub s THR 46 Ca 0.29 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 2jub s THR 46 Cb 0.21 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 2jub s THR 46 CO 0.11 -0.00 0.71 -0.63 -0.69 0.00 0.00 174.62 174.12 2jub s ILE 47 N 2.55 4.49 -0.16 1.82 -1.09 -0.45 -3.62 121.20 124.75 2jub s ILE 47 Ca 0.04 1.52 -0.04 0.00 -2.23 0.00 0.00 60.65 59.95 2jub s ILE 47 Cb -0.13 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2jub s ILE 47 CO -0.13 0.51 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.36 2jub s VAL 48 N -1.17 3.91 -0.06 2.92 1.01 -1.10 -2.12 120.40 123.80 2jub s VAL 48 Ca 0.34 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2jub s VAL 48 Cb -0.22 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2jub s VAL 48 CO 0.24 0.49 0.38 -0.51 0.00 0.00 0.00 175.10 175.69 2jub s ILE 49 N 0.44 0.03 -0.21 2.22 -1.16 -0.95 -2.12 121.20 119.46 2jub s ILE 49 Ca -0.03 -0.29 -0.03 0.00 -0.51 0.00 0.00 60.65 59.79 2jub s ILE 49 Cb -0.14 -0.64 -0.01 0.00 0.61 0.00 0.00 42.46 42.28 2jub s ILE 49 CO 0.03 -0.16 -0.06 -0.55 -2.81 0.00 0.00 174.94 171.39 2jub s SER 50 N -0.88 4.25 0.00 4.50 0.15 -1.01 -1.11 113.70 119.60 2jub s SER 50 Ca -0.09 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2jub s SER 50 Cb -0.04 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2jub s SER 50 CO 0.04 0.01 0.60 -2.65 1.20 0.00 0.00 173.24 172.43 2jub n PRO 51 N 4.62 0.00 -0.10 5.44 -0.02 -1.26 -3.59 135.00 140.08 2jub n PRO 51 Ca -0.18 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.69 2jub n PRO 51 Cb 0.51 -1.00 -0.08 0.00 -0.02 0.00 0.00 33.50 32.91 2jub n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jub n ALA 52 N -1.85 1.62 -3.00 3.55 0.00 -1.26 -3.47 120.51 116.10 2jub n ALA 52 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2jub n ALA 52 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2jub n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jub n GLU 53 N -3.77 0.00 -3.26 0.00 1.02 -1.26 -3.00 120.64 110.38 2jub n GLU 53 Ca -0.40 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.77 2jub n GLU 53 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.20 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jub s GLU 54 N -0.94 0.20 0.00 3.49 2.12 -1.26 -4.83 118.70 117.47 2jub s GLU 54 Ca 0.00 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.77 2jub s GLU 54 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2jub s GLU 54 CO 0.00 -0.12 0.00 0.25 -0.54 0.00 0.00 175.26 174.85 2jub n THR 55 N 5.08 0.00 0.00 -1.70 -2.24 -1.26 -5.01 114.28 109.14 2jub n THR 55 Ca -0.08 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jub n THR 55 Cb 0.54 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2jub n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jub n ALA 56 N -1.18 1.30 0.24 6.98 0.00 -1.26 -4.85 120.51 121.75 2jub n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jub n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jub n ALA 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jub n LEU 57 N -1.60 0.37 0.00 0.00 -0.00 -1.26 -4.68 117.00 109.83 2jub n LEU 57 Ca 0.00 -0.18 -0.12 0.00 -0.00 0.00 0.00 56.01 55.71 2jub n LEU 57 Cb 0.00 -0.12 0.04 0.00 -0.00 0.00 0.00 43.42 43.34 2jub n LEU 57 CO 0.00 0.08 0.23 0.49 -0.00 0.00 0.00 177.39 178.19 2jub n PHE 58 N 0.50 -2.65 -5.23 1.47 3.01 -1.26 -5.11 117.46 108.18 2jub n PHE 58 Ca 0.00 -1.21 -0.30 0.00 1.01 0.00 0.00 57.45 56.94 2jub n PHE 58 Cb 0.08 -0.34 -0.16 0.00 -0.01 0.00 0.00 39.48 39.05 2jub n PHE 58 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2jub s LYS 59 N -3.60 2.10 0.83 -1.08 -2.85 -1.26 -4.97 119.74 108.92 2jub s LYS 59 Ca 0.36 -0.88 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 2jub s LYS 59 Cb -0.03 -1.97 0.16 0.00 -2.06 0.00 0.00 37.83 33.93 2jub s LYS 59 CO 0.23 0.49 1.15 0.00 0.10 0.00 0.00 175.35 177.32 2jub s ALA 60 N -0.48 3.02 -0.04 0.59 0.00 -1.26 -4.84 121.76 118.75 2jub s ALA 60 Ca 0.07 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.55 2jub s ALA 60 Cb -0.10 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.67 2jub s ALA 60 CO 0.00 -1.91 -0.00 0.21 0.00 0.00 0.00 175.76 174.06 2jub s LYS 61 N -5.49 0.46 0.58 0.00 2.20 -0.27 -4.99 119.74 112.23 2jub s LYS 61 Ca 0.70 0.07 -0.08 0.00 -0.36 0.00 0.00 55.97 56.30 2jub s LYS 61 Cb -0.05 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.57 2jub s LYS 61 CO 0.48 -0.19 0.93 -1.01 -0.36 0.00 0.00 175.35 175.21 2jub s HIS 62 N 1.36 3.45 -0.23 4.03 3.76 -1.26 -2.23 115.29 124.16 2jub s HIS 62 Ca -0.05 0.92 -0.04 0.00 -0.15 0.00 0.00 55.06 55.74 2jub s HIS 62 Cb -0.13 -2.66 0.12 0.00 1.11 0.00 0.00 32.58 31.02 2jub s HIS 62 CO -0.02 -0.69 0.38 0.42 -0.85 0.00 0.00 174.74 173.98 2jub s ILE 63 N -3.02 -0.60 0.68 0.60 1.01 -0.90 -4.92 121.20 114.05 2jub s ILE 63 Ca 0.53 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 2jub s ILE 63 Cb -0.11 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2jub s ILE 63 CO 0.48 -0.07 1.23 -0.94 0.00 0.00 0.00 174.94 175.63 2jub s SER 64 N 2.55 4.56 0.21 3.58 1.04 -1.26 -1.34 113.70 123.04 2jub s SER 64 Ca 0.09 2.42 -0.09 0.00 0.48 0.00 0.00 55.95 58.85 2jub s SER 64 Cb -0.15 -2.60 0.30 0.00 0.10 0.00 0.00 66.02 63.68 2jub s SER 64 CO -0.15 -2.02 1.74 0.00 0.98 0.00 0.00 173.24 173.79 2jub h ALA 65 N 0.20 0.82 -0.91 5.32 0.00 -1.91 0.75 119.26 123.53 2jub h ALA 65 Ca -0.49 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2jub h ALA 65 Cb 1.30 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2jub h ALA 65 CO 0.52 -0.20 0.59 0.00 0.00 0.00 0.00 179.25 180.15 2jub h ALA 66 N 1.44 1.23 -0.53 0.00 0.00 -1.89 -0.11 119.26 119.40 2jub h ALA 66 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jub h ALA 66 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2jub h ALA 66 CO -0.33 0.41 0.34 1.25 0.00 0.00 0.00 179.25 180.92 2jub h HIS 67 N 1.11 0.68 -0.66 0.00 -0.00 -1.23 -0.86 115.15 114.19 2jub h HIS 67 Ca 0.38 0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.86 2jub h HIS 67 Cb 0.07 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.21 2jub h HIS 67 CO -0.02 0.44 0.44 1.25 -0.00 0.00 0.00 177.93 180.04 2jub h LEU 68 N 0.72 0.44 -0.97 0.26 7.12 0.17 0.32 115.31 123.37 2jub h LEU 68 Ca 0.19 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2jub h LEU 68 Cb -0.06 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 39.94 2jub h LEU 68 CO -0.04 0.27 0.61 0.11 -0.13 0.00 0.00 178.44 179.26 2jub h LYS 69 N 0.49 1.30 -0.18 1.25 1.57 -1.03 -1.11 116.57 118.86 2jub h LYS 69 Ca 0.31 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2jub h LYS 69 Cb 0.54 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2jub h LYS 69 CO -0.10 0.89 0.05 0.82 -0.57 0.00 0.00 179.45 180.54 2jub h ILE 70 N 1.33 1.09 -0.96 1.86 2.04 -0.35 -1.26 117.51 121.26 2jub h ILE 70 Ca 0.35 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2jub h ILE 70 Cb -0.10 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2jub h ILE 70 CO -0.07 0.11 0.62 0.40 0.00 0.00 0.00 178.15 179.21 2jub h ILE 71 N 0.26 1.25 -0.30 -0.67 2.04 -0.93 -1.18 117.51 117.98 2jub h ILE 71 Ca 0.06 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 2jub h ILE 71 Cb 0.10 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.03 2jub h ILE 71 CO -0.00 0.25 -0.29 0.00 0.00 0.00 0.00 178.15 178.10 2jub h ALA 72 N 1.37 0.92 -0.34 1.87 0.00 -1.21 -1.19 119.26 120.67 2jub h ALA 72 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jub h ALA 72 Cb -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2jub h ALA 72 CO -0.07 0.62 0.23 -0.22 0.00 0.00 0.00 179.25 179.80 2jub h LYS 73 N 0.54 0.45 0.00 0.00 3.64 -0.58 0.14 116.57 120.77 2jub h LYS 73 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jub h LYS 73 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jub h LYS 73 CO 0.06 0.30 0.00 0.09 -2.27 0.00 0.00 179.45 177.64 2jub n ASN 74 N -4.85 0.00 -0.19 4.20 4.13 -0.64 -4.37 115.26 113.55 2jub n ASN 74 Ca -0.01 0.38 -0.07 0.00 1.68 0.00 0.00 54.58 56.57 2jub n ASN 74 Cb 0.03 -0.29 0.03 0.00 -1.54 0.00 0.00 39.78 38.00 2jub n ASN 74 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2jub h LEU 75 N 0.00 0.63 -1.83 3.41 4.07 -1.29 -3.45 115.31 116.85 2jub h LEU 75 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2jub h LEU 75 Cb 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.58 2jub h LEU 75 CO 0.00 0.47 0.00 0.18 -1.08 0.00 0.00 178.44 178.01